N-(2-cyano-4-nitro-phenyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C20H17N5O4/c1-13-3-6-19(14(2)9-13)29-12-24-8-7-18(23-24)20(26)22-17-5-4-16(25(27)28)10-15(17)11-21/h3-10H,12H2,1-2H3,(H,22,26)